SCHEMBL3676826

SCHEMBL3676826

COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(C(C)(C)N)cc1)c1ccc(CCC(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.45
KMT2A Q03164 2/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
CASP1 P29466 1/20 0.38
EPHX2 P34913 1/20 0.37
FLT3 P36888 2/20 0.36
AURKB Q96GD4 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
KIT P10721 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
FFAR1 O14842 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
PPARA Q07869 2/20 0.35
PPARD Q03181 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
CCR6 P51684 1/20 0.34
HKDC1 Q2TB90 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2563886 0.93 KMT2A (0.38) NR1H4KMT2ACTDSP1CASP1EPHX2
SCHEMBL14715536 0.90 NR1H4 (0.47) NR1H4EPHX2FFAR1PTGDR2POLB
SCHEMBL225866 0.90 NR1H4 (0.47) NR1H4KMT2AEPHX2FLT3AURKB
SCHEMBL2568537 0.88 KMT2A (0.43) KMT2ACTDSP1CASP1AURKBALDH1A1
SCHEMBL2572022 0.87 CASP1 (0.38) NR1H4KMT2ACTDSP1CASP1FLT3
SCHEMBL2572025 0.87 CASP1 (0.38) NR1H4KMT2ACTDSP1CASP1FLT3
SCHEMBL2572596 0.85 ALDH1A1 (0.43) NR1H4KMT2AALDH1A1HPGDPPARA
SCHEMBL2569857 0.85 ALDH1A1 (0.44) KMT2ACTDSP1CASP1FLT3ALDH1A1
SCHEMBL2569854 0.85 ALDH1A1 (0.44) KMT2ACTDSP1CASP1FLT3ALDH1A1
SCHEMBL223628 0.85 NR1H4 (0.44) NR1H4EPHX2FFAR1CA1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230372297-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2023-11-23 US disclosed
US-20200330435-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2020-10-22 US disclosed
EP-3643309-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES Boehringer Ingelheim International GmbH (DE) 2020-04-29 EP disclosed
US-20190038600-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DEISEASES BOEHRINGER INGELHEIM INT (DE) 2019-02-07 US disclosed
US-10154990-B2 Medicaments for the treatment or prevention of fibrotic diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-12-18 US disclosed
US-20160136133-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-05-19 US disclosed
EP-2878297-A1 Medicaments for the treatment or prevention of fibrotic diseases Boehringer Ingelheim International GmbH (DE) 2015-06-03 EP disclosed
US-20140296217-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-02 US disclosed
US-20100204211-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-12 US disclosed
US-20060142373-A1 Medicaments for the Treatment or Prevention of Fibrotic Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100204211-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES MMP1, COL1A1, FOXM1 NR1H4 117/4885KMT2A 4592/4885CTDSP1 3824/4885
US-20060142373-A1 Medicaments for the Treatment or Prevention of Fibrotic Diseases MMP1, COL1A1, FOXM1 NR1H4 117/4885KMT2A 4592/4885CTDSP1 3824/4885
US-20200330435-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES MMP1, COL1A1, FOXM1 NR1H4 117/4885KMT2A 4592/4885CTDSP1 3824/4885
US-20160136133-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES MMP1, COL1A1, FOXM1 NR1H4 117/4885KMT2A 4592/4885CTDSP1 3824/4885
US-20230372297-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES MMP1, COL1A1, SMAD3 NR1H4 88/4885KMT2A 4493/4885CTDSP1 3801/4885
US-10154990-B2 Medicaments for the treatment or prevention of fibrotic diseases MMP1, COL1A1, FOXM1 NR1H4 117/4885KMT2A 4592/4885CTDSP1 3824/4885
US-20140296217-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES MMP1, COL1A1, FOXM1 NR1H4 117/4885KMT2A 4592/4885CTDSP1 3824/4885
US-20190038600-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DEISEASES MMP1, COL1A1, IDO1 NR1H4 670/4885KMT2A 3979/4885CTDSP1 4128/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.